methyl 4-(4-methoxycarbonyl-2,6-dinitro-phenyl)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(4-methoxycarbonyl-2,6-dinitro-phenyl)-3,5-dinitro-benzoate Openeye Name: methyl 4-(4-methoxycarbonyl-2,6-dinitro-phenyl)-3,5-dinitro-benzoate CAS Name: 4-(4-methoxycarbonyl-2,6-dinitrophenyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonyl-2,6-dinitrophenyl)-3,5-dinitrobenzoate Traditional Name: 4-(4-carbomethoxy-2,6-dinitro-phenyl)-3,5-dinitro-benzoic acid methyl ester Formula: C16H10N4O12 MolecularWeight: 450.2702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O12/c1-31-15(21)7-3-9(17(23)24)13(10(4-7)18(25)26)14-11(19(27)28)5-8(16(22)32-2)6-12(14)20(29)30/h3-6H,1-2H3